1,4-diphenyldibenzothiophene

C24H16S — CID 145331773

IUPAC1,4-diphenyldibenzothiophene
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C24H16S/c1-3-9-17(10-4-1)19-15-16-20(18-11-5-2-6-12-18)24-23(19)21-13-7-8-14-22(21)25-24/h1-16H
InChIKeyFLEIHTAPFMINEC-UHFFFAOYSA-N
MW336.46 g/mol
LogP7.39
Rot. Bonds2

About 1,4-diphenyldibenzothiophene

1,4-diphenyldibenzothiophene (PubChem CID 145331773) has the molecular formula C24H16S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1,4-diphenyldibenzothiophene.

Molecular Properties

Compound Name1,4-diphenyldibenzothiophene
PubChem CID145331773
Molecular FormulaC24H16S
Molecular Weight336.46 g/mol
Exact Mass336.10
IUPAC Name1,4-diphenyldibenzothiophene
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C24H16S/c1-3-9-17(10-4-1)19-15-16-20(18-11-5-2-6-12-18)24-23(19)21-13-7-8-14-22(21)25-24/h1-16H
InChIKeyFLEIHTAPFMINEC-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylphenyl)-1-phenyldibenzothiophene
CID 129266942
2,4-diphenyl-6-[6-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170199450
1-phenyldibenzothiophene;hydrobromide
CID 174679709
4-phenyl-N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164744420
2-phenyl-4-[9-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200044
2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199239
1-[4-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]phenyl]-4-phenyldibenzothiophene
CID 171449465
2,4-diphenyl-6-[9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170202059
2-phenyl-4-[9-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200058
2-phenyl-4-[7-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200211
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
N-dibenzothiophen-4-yl-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171435004

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyldibenzothiophene?
The IUPAC name of 1,4-diphenyldibenzothiophene (CID 145331773) is 1,4-diphenyldibenzothiophene.
What is the SMILES notation for 1,4-diphenyldibenzothiophene?
The canonical SMILES for 1,4-diphenyldibenzothiophene is c1ccc(-c2ccc(-c3ccccc3)c3c2sc2ccccc23)cc1.
What is the InChIKey of 1,4-diphenyldibenzothiophene?
The InChIKey is FLEIHTAPFMINEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16S/c1-3-9-17(10-4-1)19-15-16-20(18-11-5-2-6-12-18)24-23(19)21-13-7-8-14-22(21)25-24/h1-16H.
What are the key properties of 1,4-diphenyldibenzothiophene?
1,4-diphenyldibenzothiophene has a molecular weight of 336.46 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyldibenzothiophene is sourced from PubChem (CID 145331773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).